CID 131751958

(7e,7'r,8'r)-e-viniferin 3',5'-diglucoside

Structural Information

Molecular Formula
C40H42O16
SMILES
C1=CC(=CC=C1/C=C/C2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O
InChI
InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1+
InChIKey
RPVPDEHWWUFGBW-DAFODLJHSA-N
Compound name
2-[3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

778.2473 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.254576 266.8
[M+Na]+ 801.236518 273.4
[M-H]- 777.240024 265.6
[M+NH4]+ 796.281123 269.9
[M+K]+ 817.210458 271.7
[M+H-H2O]+ 761.244560 257.5
[M+HCOO]- 823.245501 271.0
[M+CH3COO]- 837.261151 274.2
[M+Na-2H]- 799.221966 288.1
[M]+ 778.24675142 282.8
[M]- 778.24784858 282.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.